SCHEMBL2201074

SCHEMBL2201074

CCCCCc1nc2c(N)nc(N)nc2n1CC1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.57
TLR8 Q9NR97 1/20 0.50
PDE8B O95263 2/20 0.38
PIK3CA P42336 1/20 0.36
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ADORA2A P29274 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2199449 0.80 PDE8B (0.40) TLR7TLR8PDE8BPIK3CAADORA2A
SCHEMBL2199421 0.79 ADORA2A (0.41) TLR7TLR8PDE8BPIK3CAADORA2A
SCHEMBL5401994 0.78 TLR7 (0.44) TLR7TLR8PI4KAPI4K2BPI4K2A
SCHEMBL2200949 0.74 PDE8B (0.41) TLR7TLR8PDE8BPI4KAPI4K2B
SCHEMBL2201635 0.72 TLR7 (0.44) TLR7TLR8PDE8BADORA2A
SCHEMBL2197738 0.71 TLR7 (0.62) TLR7TLR8
SCHEMBL565852 0.70 PDE8B (0.44) TLR7TLR8PDE8B
SCHEMBL25816227 0.70 TLR7 (0.66) TLR7TLR8
SCHEMBL562562 0.70 TLR7 (0.47) TLR7TLR8PDE8BADORA2A
SCHEMBL2196854 0.70 TLR7 (0.47) TLR7TLR8PDE8BADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R TLR7 38/4885TLR8 34/4885PDE8B 1844/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.